2-[2-(1-chloroethyl)-5-ethylbenzimidazol-1-yl]-N,N-dimethylethanamine

C15H22ClN3 — CID 82333823

IUPAC2-[2-(1-chloroethyl)-5-ethylbenzimidazol-1-yl]-N,N-dimethylethanamine
SMILESCCc1ccc2c(c1)nc(C(C)Cl)n2CCN(C)C
InChIInChI=1S/C15H22ClN3/c1-5-12-6-7-14-13(10-12)17-15(11(2)16)19(14)9-8-18(3)4/h6-7,10-11H,5,8-9H2,1-4H3
InChIKeyCMSCFJPXLIQNTO-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.46
Rot. Bonds5

About 2-[2-(1-chloroethyl)-5-ethylbenzimidazol-1-yl]-N,N-dimethylethanamine

2-[2-(1-chloroethyl)-5-ethylbenzimidazol-1-yl]-N,N-dimethylethanamine (PubChem CID 82333823) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-[2-(1-chloroethyl)-5-ethylbenzimidazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-(1-chloroethyl)-5-ethylbenzimidazol-1-yl]-N,N-dimethylethanamine
PubChem CID82333823
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name2-[2-(1-chloroethyl)-5-ethylbenzimidazol-1-yl]-N,N-dimethylethanamine
SMILESCCc1ccc2c(c1)nc(C(C)Cl)n2CCN(C)C
InChIInChI=1S/C15H22ClN3/c1-5-12-6-7-14-13(10-12)17-15(11(2)16)19(14)9-8-18(3)4/h6-7,10-11H,5,8-9H2,1-4H3
InChIKeyCMSCFJPXLIQNTO-UHFFFAOYSA-N
XLogP3.46
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1-chloroethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82334199
2-[2-(1-chloroethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylethanamine
CID 115502152
2-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]acetic acid
CID 82142232
2-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N-ethyl-N-methylethanamine
CID 62640923
2-[1-[2-(dimethylamino)ethyl]-2-pentan-3-ylbenzimidazol-5-yl]acetic acid
CID 94743217
1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]ethanamine
CID 82333992
1-[5-ethyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine
CID 82333541
1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]propan-1-amine
CID 82334045
1-(5-ethyl-1-propylbenzimidazol-2-yl)propan-1-amine
CID 82333614
3-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine
CID 79292216
1-[1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-5-yl]ethanone
CID 94743219
5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole
CID 43666414

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-chloroethyl)-5-ethylbenzimidazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-(1-chloroethyl)-5-ethylbenzimidazol-1-yl]-N,N-dimethylethanamine (CID 82333823) is 2-[2-(1-chloroethyl)-5-ethylbenzimidazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-(1-chloroethyl)-5-ethylbenzimidazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-(1-chloroethyl)-5-ethylbenzimidazol-1-yl]-N,N-dimethylethanamine is CCc1ccc2c(c1)nc(C(C)Cl)n2CCN(C)C.
What is the InChIKey of 2-[2-(1-chloroethyl)-5-ethylbenzimidazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is CMSCFJPXLIQNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-5-12-6-7-14-13(10-12)17-15(11(2)16)19(14)9-8-18(3)4/h6-7,10-11H,5,8-9H2,1-4H3.
What are the key properties of 2-[2-(1-chloroethyl)-5-ethylbenzimidazol-1-yl]-N,N-dimethylethanamine?
2-[2-(1-chloroethyl)-5-ethylbenzimidazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 279.81 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-chloroethyl)-5-ethylbenzimidazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 82333823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).